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CHEBI:189924 - CDP-DG(20:4(5Z,8Z,11Z,14Z)/20:2(11Z,14Z))

ChEBI IDCHEBI:189924
ChEBI NameCDP-DG(20:4(5Z,8Z,11Z,14Z)/20:2(11Z,14Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC52H85N3O15P2
Net Charge0
Average Mass1054.206
Monoisotopic Mass1053.54559
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)C(O)[C@H]1O)OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC
InChIInChI=1S/C52H85N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-47(56)65-41-44(68-48(57)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)42-66-71(61,62)70-72(63,64)67-43-45-49(58)50(59)51(69-45)55-40-39-46(53)54-52(55)60/h11-14,17-20,23,25,29,31,39-40,44-45,49-51,58-59H,3-10,15-16,21-22,24,26-28,30,32-38,41-43H2,1-2H3,(H,61,62)(H,63,64)(H2,53,54,60)/b13-11-,14-12-,19-17-,20-18-,25-23-,31-29-/t44-,45-,49+,50?,51-/m1/s1
InChIKeyMLTLWQGXTLVRQJ-IEZJJNRQSA-N
Species of MetaboliteComponentSourceComments
marine plankton environmental sample (ncbitaxon:632957) endometabolome MetaboLights (MTBLS3038)
Roles Classification
Biological Roles:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
CDP-DG(20:4(5Z,8Z,11Z,14Z)/20:2(11Z,14Z)) (CHEBI:189924) is a CDP-diacylglycerol (CHEBI:17962)
IUPAC Name 
[(2R)-1-[[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxypropan-2-yl] (11Z,14Z)-icosa-11,14-dienoate
Manual XrefsDatabases
74877732ChemSpider
HMDB0115994HMDB